N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide

C10H21N3 — CID 63178577

IUPACN-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
SMILES[H]/N=C(\CC)N(C)C1CCN(C)CC1
InChIInChI=1S/C10H21N3/c1-4-10(11)13(3)9-5-7-12(2)8-6-9/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyGIGZOUXPKQNPHO-ZHACJKMWSA-N
MW183.30 g/mol
LogP1.40
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide

N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide (PubChem CID 63178577) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
PubChem CID63178577
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)propanimidamide
SMILES[H]/N=C(\CC)N(C)C1CCN(C)CC1
InChIInChI=1S/C10H21N3/c1-4-10(11)13(3)9-5-7-12(2)8-6-9/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyGIGZOUXPKQNPHO-ZHACJKMWSA-N
XLogP1.40
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide (CID 63178577) is N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide is [H]/N=C(\CC)N(C)C1CCN(C)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide?
The InChIKey is GIGZOUXPKQNPHO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(11)13(3)9-5-7-12(2)8-6-9/h9,11H,4-8H2,1-3H3/b11-10+.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide?
N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)propanimidamide is sourced from PubChem (CID 63178577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).